ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	Magnetic moment ✕	slab_E ✕	Charge ✕	Maximum stress ✕	no_equ_4 ✕	Dipole_val ✕	no_equ_26 ✕
1	Cu₅₄Li	0.000	-190.592	0.000	0.009	ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141	-2.989	-
2	BeCu₅₄	-0.000	-190.592	0.000	0.008	ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616	-0.069	-
3	Cu₅₄B	0.000	-190.592	0.000	0.008	ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662	0.558	-
4	Cu₅₄C	-0.000	-190.592	0.000	0.008	ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427	0.431	-
5	Cu₅₄N	-0.000	-190.592	0.000	0.007	ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725	0.356	-
6	Cu₅₄O	0.000	-190.592	0.000	0.009	ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406	0.473	-
7	Cu₅₄F	-0.000	-190.592	0.000	0.009	ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335	0.677	-
8	Cu₅₄Ar	-0.000	-190.592	0.000	0.009	ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057	-0.049	ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005

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